- InChI
- InChI=1S/C23H41NO2Si2/c1-27(2,3)25-21-12-16-23(17-13-21,20-10-8-7-9-11-20)24-18-14-22(15-19-24)26-28(4,5)6/h7-11,21-22H,12-19H2,1-6H3
- InChI Key
- XBODLZZCEUQVJY-UHFFFAOYSA-N
- Formula
- C23H41NO2Si2
- SMILES
-
C[Si](C)(C)OC1CCN(C2(c3ccccc3)
CCC(O[Si](C)(C)C)CC2)CC1 - Molecular Weight1
- 419.75
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6208 | Relay (... Calculated Property | |
| ΔfG° | 157.96 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -534.25 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 95.64 | kJ/mol | Relay (... Calculated Property |
| IE | 7.73 | eV | Relay (... Calculated Property |
| log10WS | -3.70 | Relay (... Calculated Property | |
| logPoct/wat | 5.992 | Crippen Calculated Property | |
| Pc | 499.71 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2680.00; 2680.00] |
|
|
| Inp | 2680.00 | NIST | |
| Inp | 2680.00 | NIST | |
| Tboil | 671.63 | K | Relay (... Calculated Property |
| Tc | 887.62 | K | Relay (... Calculated Property |
| Tfus | 372.13 | K | Relay (... Calculated Property |
| Vc | 1.352 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1-(1-phenyl-4-hydroxycyclohexyl)-4-hydroxypiperidine (TMS).
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- NIST Webbook
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